SCHEMBL9608108

SCHEMBL9608108

CC(CC#Cc1ccccc1OC(C)C)Nc1ncnc2sccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.49
▸ TNF P01375 3/20 0.49
▸ NOD1 Q9Y239 3/20 0.49
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ FDPS P14324 1/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ HTT P42858 3/20 0.39
▸ MRGPRX1 Q96LB2 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GALR3 O60755 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NR2F2 P24468 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9608102 0.91 KMT2A (0.53) RAB9ATNFNOD1MEN1KMT2A
SCHEMBL9608105 0.85 RAB9A (0.53) RAB9ATNFNOD1MEN1KMT2A
SCHEMBL9608097 0.85 RAB9A (0.52) RAB9ATNFNOD1MEN1KMT2A
SCHEMBL9608109 0.83 RAB9A (0.50) RAB9ATNFNOD1MEN1KMT2A
SCHEMBL9608099 0.82 RAB9A (0.49) RAB9ATNFNOD1MEN1KMT2A
SCHEMBL6123117 0.82 RAB9A (0.59) RAB9ATNFNOD1MEN1KMT2A
SCHEMBL9608103 0.81 TNF (0.48) RAB9ATNFNOD1MEN1KMT2A
SCHEMBL8504500 0.80 MEN1 (0.55) RAB9ATNFNOD1MEN1KMT2A
SCHEMBL9608132 0.79 RAB9A (0.51) RAB9ATNFNOD1MEN1KMT2A
SCHEMBL9608096 0.78 MEN1 (0.51) RAB9ATNFNOD1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9089139-B2 Agri-horticultural pest control compositions comprising 4-(3-butynyl)aminopyrimidine derivatives SDS BIOTECH K. K. (JP) 2015-07-28 — — US disclosed
US-9089139-B2 Agri-horticultural pest control compositions comprising 4-(3-butynyl)aminopyrimidine derivatives SDS BIOTECH K. K. (JP) 2015-07-28 — — US disclosed
US-8586505-B2 4-(3-butynyl)aminopyrimidine derivatives as pest control agents for agricultural and horticultural use SDS BIOTECH K. K. (JP) 2013-11-19 — — US disclosed
US-20130296271-A1 Agri-Horticultural Pest Control Compositions Comprising 4-(3-Butynyl)Aminopyrimidine Derivatives SDS BIOTECH K.K. (JP) 2013-11-07 — — US disclosed
US-20130296271-A1 Agri-Horticultural Pest Control Compositions Comprising 4-(3-Butynyl)Aminopyrimidine Derivatives SDS BIOTECH K.K. (JP) 2013-11-07 — — US disclosed
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use SDS BIOTECH K.K. (JP) 2012-05-31 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130296271-A1 Agri-Horticultural Pest Control Compositions Comprising 4-(3-Butynyl)Aminopyrimidine Derivatives HCN1, HCN2, HCN3 RAB9A 3469/4885TNF 4828/4885NOD1 3465/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 RAB9A 4200/4885TNF 4733/4885NOD1 347/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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